(4Z)-7-fluoro-3-(3-fluoro-6-methyl-3,4-dihydro-2H-pyridin-5-ylidene)-4-methyl-5-(trifluoromethyl)nona-1,4,8-triene-1,8-diamine

C17H22F5N3 — CID 162602019

IUPAC(4Z)-7-fluoro-3-(3-fluoro-6-methyl-3,4-dihydro-2H-pyridin-5-ylidene)-4-methyl-5-(trifluoromethyl)nona-1,4,8-triene-1,8-diamine
SMILESC=C(N)C(F)C/C(=C(\C)C(C=CN)=C1CC(F)CN=C1C)C(F)(F)F
InChIInChI=1S/C17H22F5N3/c1-9(15(17(20,21)22)7-16(19)10(2)24)13(4-5-23)14-6-12(18)8-25-11(14)3/h4-5,12,16H,2,6-8,23-24H2,1,3H3/b5-4?,14-13?,15-9-
InChIKeyCEJYUHDACYJBAK-SPFCBHKRSA-N
MW363.37 g/mol
LogP4.04
Rot. Bonds5

About (4Z)-7-fluoro-3-(3-fluoro-6-methyl-3,4-dihydro-2H-pyridin-5-ylidene)-4-methyl-5-(trifluoromethyl)nona-1,4,8-triene-1,8-diamine

(4Z)-7-fluoro-3-(3-fluoro-6-methyl-3,4-dihydro-2H-pyridin-5-ylidene)-4-methyl-5-(trifluoromethyl)nona-1,4,8-triene-1,8-diamine (PubChem CID 162602019) has the molecular formula C17H22F5N3 and a molecular weight of 363.37 g/mol. Its IUPAC name is (4Z)-7-fluoro-3-(3-fluoro-6-methyl-3,4-dihydro-2H-pyridin-5-ylidene)-4-methyl-5-(trifluoromethyl)nona-1,4,8-triene-1,8-diamine.

Molecular Properties

Compound Name(4Z)-7-fluoro-3-(3-fluoro-6-methyl-3,4-dihydro-2H-pyridin-5-ylidene)-4-methyl-5-(trifluoromethyl)nona-1,4,8-triene-1,8-diamine
PubChem CID162602019
Molecular FormulaC17H22F5N3
Molecular Weight363.37 g/mol
Exact Mass363.17
IUPAC Name(4Z)-7-fluoro-3-(3-fluoro-6-methyl-3,4-dihydro-2H-pyridin-5-ylidene)-4-methyl-5-(trifluoromethyl)nona-1,4,8-triene-1,8-diamine
SMILESC=C(N)C(F)C/C(=C(\C)C(C=CN)=C1CC(F)CN=C1C)C(F)(F)F
InChIInChI=1S/C17H22F5N3/c1-9(15(17(20,21)22)7-16(19)10(2)24)13(4-5-23)14-6-12(18)8-25-11(14)3/h4-5,12,16H,2,6-8,23-24H2,1,3H3/b5-4?,14-13?,15-9-
InChIKeyCEJYUHDACYJBAK-SPFCBHKRSA-N
XLogP4.04
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4Z)-7-fluoro-3-(3-fluoro-6-methyl-3,4-dihydro-2H-pyridin-5-ylidene)-4-methyl-5-(trifluoromethyl)nona-1,4,8-triene-1,8-diamine?
The IUPAC name of (4Z)-7-fluoro-3-(3-fluoro-6-methyl-3,4-dihydro-2H-pyridin-5-ylidene)-4-methyl-5-(trifluoromethyl)nona-1,4,8-triene-1,8-diamine (CID 162602019) is (4Z)-7-fluoro-3-(3-fluoro-6-methyl-3,4-dihydro-2H-pyridin-5-ylidene)-4-methyl-5-(trifluoromethyl)nona-1,4,8-triene-1,8-diamine.
What is the SMILES notation for (4Z)-7-fluoro-3-(3-fluoro-6-methyl-3,4-dihydro-2H-pyridin-5-ylidene)-4-methyl-5-(trifluoromethyl)nona-1,4,8-triene-1,8-diamine?
The canonical SMILES for (4Z)-7-fluoro-3-(3-fluoro-6-methyl-3,4-dihydro-2H-pyridin-5-ylidene)-4-methyl-5-(trifluoromethyl)nona-1,4,8-triene-1,8-diamine is C=C(N)C(F)C/C(=C(\C)C(C=CN)=C1CC(F)CN=C1C)C(F)(F)F.
What is the InChIKey of (4Z)-7-fluoro-3-(3-fluoro-6-methyl-3,4-dihydro-2H-pyridin-5-ylidene)-4-methyl-5-(trifluoromethyl)nona-1,4,8-triene-1,8-diamine?
The InChIKey is CEJYUHDACYJBAK-SPFCBHKRSA-N. The full InChI is InChI=1S/C17H22F5N3/c1-9(15(17(20,21)22)7-16(19)10(2)24)13(4-5-23)14-6-12(18)8-25-11(14)3/h4-5,12,16H,2,6-8,23-24H2,1,3H3/b5-4?,14-13?,15-9-.
What are the key properties of (4Z)-7-fluoro-3-(3-fluoro-6-methyl-3,4-dihydro-2H-pyridin-5-ylidene)-4-methyl-5-(trifluoromethyl)nona-1,4,8-triene-1,8-diamine?
(4Z)-7-fluoro-3-(3-fluoro-6-methyl-3,4-dihydro-2H-pyridin-5-ylidene)-4-methyl-5-(trifluoromethyl)nona-1,4,8-triene-1,8-diamine has a molecular weight of 363.37 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-7-fluoro-3-(3-fluoro-6-methyl-3,4-dihydro-2H-pyridin-5-ylidene)-4-methyl-5-(trifluoromethyl)nona-1,4,8-triene-1,8-diamine is sourced from PubChem (CID 162602019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).